312946-37-5

Name LDN-27219
CAS 312946-37-5
EINECS(EC#) 604-604-1
Molecular Formula C20H16N4O2S2
Molecular Weight 408.5
MOL File 312946-37-5.mol
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Chemical Properties

density  1.45±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO: soluble15mg/mL, clear
form  powder
pka 11.87±0.37(Predicted)
color  white to beige
InChI 1S/C20H16N4O2S2/c21-23-16(25)12-28-20-22-18-17(15(11-27-18)13-7-3-1-4-8-13)19(26)24(20)14-9-5-2-6-10-14/h1-11H,12,21H2,(H,23,25)
InChIKey WLBUICQBNZXIDJ-UHFFFAOYSA-N
SMILES [s]1c2nc([n]([c](c2c(c1)c4ccccc4)=O)c3ccccc3)SCC(=O)NN

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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